CID 177793411

2-{[(tert-butoxy)carbonyl]amino}-2-(1h-pyrazol-4-yl)acetic acid

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC(C)(C)OC(=O)NC(C1=CNN=C1)C(=O)O
InChI
InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)13-7(8(14)15)6-4-11-12-5-6/h4-5,7H,1-3H3,(H,11,12)(H,13,16)(H,14,15)
InChIKey
CSLGZWSBNVBRAR-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1H-pyrazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.10626 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 154.6
[M+Na]+ 264.09548 159.6
[M-H]- 240.09898 153.0
[M+NH4]+ 259.14008 169.2
[M+K]+ 280.06942 158.8
[M+H-H2O]+ 224.10352 147.7
[M+HCOO]- 286.10446 171.7
[M+CH3COO]- 300.12011 187.1
[M+Na-2H]- 262.08093 156.9
[M]+ 241.10571 153.6
[M]- 241.10681 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.